4-[(Ethylamino)Methyl]Pyrocatechol HBr - CAS 1456821-60-5
Catalog: |
BB063344 |
Product Name: |
4-[(Ethylamino)Methyl]Pyrocatechol HBr |
CAS: |
1456821-60-5 |
Synonyms: |
4-[(Ethylamino)methyl]pyrocatechol Hydrobromide; 4-[(ETHYLAMINO)METHYL]PYROCATECHOL HBR; 4-(ethylaminomethyl)benzene-1,2-diol; hydrobromide; 4-((ethylamino)methyl)benzene-1,2-diol hydrobromide; 1,2-Benzenediol, 4-[(ethylamino)methyl]-, hydrobromide (1:1); 4-[(Ethylamino)methyl]pyrocatecholHydrobromide |
IUPAC Name: | 4-(ethylaminomethyl)benzene-1,2-diolhydrobromide |
Molecular Weight: | 167.21 + 80.91 |
Molecular Formula: | C9H13NO2·HBr |
Canonical SMILES: | CCNCC1=CC(=C(C=C1)O)O.Br |
InChI: | InChI=1S/C9H13NO2.BrH/c1-2-10-6-7-3-4-8(11)9(12)5-7/h3-5,10-12H,2,6H2,1H31H |
InChI Key: | BAIVRLRNJROSFF-UHFFFAOYSA-N |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.02079 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.02079 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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